Synadelphite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080097 Moore P B American Mineralogist 55 (1970) 2023-2037 Crystal chemistry of the basic manganese arsenates: IV. Mixed arsenic valences in the crystal structure of synadelphite _database_code_amcsd 0000217 CELL PARAMETERS: 10.4636 18.3610 9.7304 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Mn 0.29410 0.75000 0.38680 1.000 0.880 Mn 0.56130 0.66350 0.37290 1.000 0.850 Mn 0.82690 0.58630 0.36140 1.000 0.820 Mn 0.08870 0.50390 0.36270 1.000 0.930 Mn 0.35640 0.42250 0.35750 1.000 1.050 As 0.96720 0.75000 0.36180 1.000 0.120 As 0.32250 0.58110 0.56540 1.000 0.120 O 0.11510 0.75000 0.28540 1.000 0.990 OH 0.47480 0.75000 0.48320 1.000 1.330 O 0.24010 0.65350 0.51630 1.000 1.330 O 0.40180 0.68180 0.23730 1.000 1.320 O 0.47140 0.58670 0.51760 1.000 1.100 OH 0.66300 0.59270 0.24200 1.000 0.720 OH 0.71580 0.64910 0.49970 1.000 0.970 O 0.74170 0.49400 0.49870 1.000 0.880 OH 0.92930 0.51150 0.23810 1.000 0.770 OH 0.97570 0.57260 0.49800 1.000 1.110 O 0.18380 0.42250 0.23490 1.000 0.830 Wa 0.41700 0.33060 0.22320 1.000 2.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 16 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 19.14806785 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.63 63.95 9.1805 0 2 0 10.29 100.00 8.5977 0 1 1 12.42 10.48 7.1256 1 0 1 13.33 2.21 6.6429 1 1 1 15.74 3.03 5.6290 1 2 1 17.12 38.87 5.1807 0 3 1 19.26 1.80 4.6080 2 0 1 19.53 13.65 4.5455 2 2 0 19.87 10.57 4.4694 2 1 1 20.13 5.00 4.4116 1 0 2 20.66 1.89 4.2988 0 2 2 20.71 5.17 4.2896 1 1 2 21.58 6.31 4.1183 2 2 1 22.36 2.22 3.9768 2 3 0 23.05 32.45 3.8589 1 4 1 24.88 14.85 3.5788 1 3 2 24.99 6.72 3.5628 2 0 2 25.47 4.60 3.4975 2 1 2 25.82 11.33 3.4505 2 4 0 26.70 1.99 3.3388 0 4 2 27.16 11.90 3.2833 3 0 1 27.32 5.54 3.2642 1 5 1 27.60 13.48 3.2320 3 1 1 27.93 1.63 3.1940 0 1 3 28.05 32.68 3.1808 1 4 2 28.82 4.64 3.0980 1 0 3 29.00 6.49 3.0791 2 3 2 29.18 11.46 3.0602 0 6 0 29.23 6.69 3.0549 1 1 3 29.72 14.47 3.0057 2 5 0 31.21 14.23 2.8659 0 3 3 31.70 41.11 2.8224 1 5 2 31.95 5.46 2.8015 3 1 2 32.39 23.64 2.7641 1 3 3 32.48 3.16 2.7567 2 0 3 32.85 3.80 2.7261 2 1 3 33.07 40.43 2.7085 3 2 2 33.94 10.12 2.6415 2 6 0 33.95 1.69 2.6402 2 2 3 34.28 1.22 2.6159 4 0 0 34.63 1.78 2.5904 0 6 2 34.64 5.16 2.5897 4 1 0 34.88 73.93 2.5722 3 3 2 34.94 11.04 2.5679 1 4 3 35.09 2.27 2.5571 2 5 2 35.21 5.91 2.5492 2 6 1 35.69 6.66 2.5158 4 2 0 35.71 2.58 2.5145 1 6 2 35.72 1.41 2.5135 2 3 3 35.88 1.12 2.5026 4 1 1 36.95 4.33 2.4326 0 0 4 36.98 1.13 2.4310 0 5 3 37.28 1.43 2.4119 3 4 2 37.39 6.08 2.4054 4 3 0 37.98 3.36 2.3694 1 0 4 38.00 1.34 2.3679 1 5 3 38.21 4.13 2.3556 3 1 3 38.39 5.94 2.3448 2 7 0 38.79 9.07 2.3214 2 6 2 39.10 8.25 2.3040 4 0 2 39.18 3.24 2.2995 3 2 3 39.27 4.30 2.2942 1 2 4 39.99 12.72 2.2546 1 7 2 40.29 12.54 2.2386 3 6 1 40.84 1.54 2.2096 1 3 4 41.33 5.07 2.1846 1 8 1 42.04 1.37 2.1494 0 4 4 42.81 1.49 2.1123 2 7 2 42.87 4.17 2.1095 3 4 3 43.48 1.22 2.0813 4 5 1 43.62 1.45 2.0752 2 3 4 44.08 1.67 2.0544 2 8 1 44.22 12.32 2.0482 2 6 3 44.27 2.29 2.0459 5 0 1 44.50 3.70 2.0362 4 0 3 44.50 5.12 2.0361 1 8 2 44.78 1.82 2.0238 4 1 3 45.42 1.04 1.9969 5 2 1 45.42 4.21 1.9967 0 9 1 46.53 1.40 1.9517 4 5 2 46.95 4.94 1.9352 0 1 5 47.56 1.34 1.9120 5 1 2 47.76 1.86 1.9042 0 6 4 47.86 1.31 1.9007 2 9 0 48.37 4.47 1.8816 5 2 2 48.52 1.12 1.8763 3 6 3 48.60 2.10 1.8735 1 6 4 49.21 1.72 1.8517 1 9 2 49.42 5.58 1.8442 1 8 3 49.71 3.86 1.8341 5 3 2 50.00 2.19 1.8240 2 0 5 51.04 7.76 1.7894 2 6 4 51.29 1.70 1.7814 4 0 4 51.31 1.51 1.7808 4 5 3 51.54 3.03 1.7731 4 1 4 51.63 1.32 1.7704 2 9 2 51.77 1.60 1.7660 1 4 5 52.31 7.34 1.7488 4 2 4 52.34 2.94 1.7480 2 3 5 52.72 1.50 1.7361 6 1 0 53.03 3.51 1.7269 0 9 3 53.08 1.41 1.7252 4 8 0 53.58 1.59 1.7104 4 3 4 53.80 4.88 1.7039 1 9 3 54.10 4.49 1.6952 4 6 3 54.10 3.33 1.6951 2 4 5 54.20 2.17 1.6922 3 1 5 54.28 6.56 1.6901 5 3 3 54.34 3.51 1.6882 2 7 4 55.49 15.68 1.6559 3 9 2 56.00 2.09 1.6421 5 4 3 56.44 2.30 1.6302 6 4 0 57.27 1.73 1.6087 4 9 0 57.30 3.40 1.6078 6 4 1 57.99 1.44 1.5904 2 8 4 58.17 1.07 1.5860 5 5 3 58.60 6.90 1.5753 6 5 0 58.95 26.99 1.5668 2 6 5 59.17 9.69 1.5614 4 0 5 60.03 5.23 1.5411 3 10 2 60.11 4.36 1.5393 4 2 5 60.26 1.27 1.5357 5 3 4 60.51 15.39 1.5301 0 12 0 60.75 2.28 1.5247 5 6 3 61.17 18.34 1.5152 6 6 0 61.72 1.70 1.5028 4 10 0 62.33 1.68 1.4898 6 3 3 62.41 1.93 1.4879 3 11 1 62.52 1.88 1.4857 3 6 5 62.87 1.30 1.4782 4 4 5 63.28 1.27 1.4696 1 8 5 63.32 1.49 1.4688 1 5 6 63.81 1.14 1.4587 7 2 1 63.91 1.17 1.4566 6 4 3 64.13 2.90 1.4522 6 7 0 64.14 2.63 1.4520 3 2 6 65.25 1.56 1.4299 3 3 6 65.30 4.43 1.4289 7 0 2 65.35 1.95 1.4280 2 8 5 65.53 2.47 1.4246 7 1 2 66.37 1.34 1.4084 5 6 4 66.87 1.63 1.3991 5 9 2 66.95 1.57 1.3977 0 13 1 67.45 1.65 1.3886 6 8 0 67.54 1.35 1.3869 3 12 1 67.81 2.51 1.3820 2 6 6 68.22 2.50 1.3746 6 8 1 68.26 2.18 1.3741 1 1 7 68.73 1.22 1.3657 3 11 3 69.08 1.40 1.3598 2 9 5 69.42 1.26 1.3539 7 1 3 69.99 4.78 1.3443 1 3 7 70.07 1.27 1.3430 7 2 3 70.73 2.94 1.3320 5 9 3 70.99 2.25 1.3278 5 10 2 71.33 1.14 1.3223 6 5 4 71.48 1.33 1.3198 1 4 7 72.23 1.13 1.3080 8 0 0 73.06 2.13 1.2952 0 12 4 73.09 1.48 1.2947 7 6 2 73.33 1.04 1.2910 4 8 5 73.66 1.32 1.2861 6 6 4 74.96 1.11 1.2670 0 11 5 76.66 1.10 1.2430 3 4 7 78.67 1.50 1.2163 0 0 8 80.73 1.94 1.1903 3 14 2 80.80 1.27 1.1895 4 10 5 82.24 1.01 1.1722 2 12 5 84.39 1.41 1.1478 3 10 6 84.93 2.44 1.1419 1 9 7 85.31 2.95 1.1377 5 3 7 86.63 3.87 1.1238 3 15 2 87.92 1.01 1.1106 1 16 2 89.20 2.19 1.0980 9 4 2 89.73 3.90 1.0928 4 12 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.